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3-(7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl)-N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-(methylsulfonyl)propyl]-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL551654
SMILES CSc1ccc(cc1)C(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC(c1onc(n1)C1CCCC1)CCS(=O)(=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C37H42ClN3O10S2 MW 788.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42ClN3O10S2/c1-19-16-25(42)29(33(44)37(19)34(45)30-26(48-2)18-27(49-3)31(38)32(30)50-37)23(20-10-12-22(52-4)13-11-20)17-28(43)39-24(14-15-53(5,46)47)36-40-35(41-51-36)21-8-6-7-9-21/h10-13,18-19,21,23-24,44H,6-9,14-17H2,1-5H3,(H,39,43)
InChIKey
WZJJFNXMTSVCQW-UHFFFAOYSA-N
Synonyms

135640016
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(1(3cyclopentyl124oxadiazol5yl)3(methylsulfonyl)propyl)3(4(methylthio)phenyl)propanamide
3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(1(3cyclopentyl124oxadiazol5yl)3methylsulfonylpropyl)3(4methylsulfanylphenyl)propanamide
3(7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(1(3CYCLOPENTYL124OXADIAZOL5YL)3(METHYLSULFONYL)PROPYL)3(4(METHYLSULFANYL)PHEN
3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(1(3cyclopentyl124oxadiazol5yl)3(methylsulfonyl)propyl)3(4(methylsulfanyl)phenyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC(c1onc(n1)C1CCCC1)CCS(=O)(=O)C
InChI=1SC37H42ClN3O10S2c1191625(42)29(33(44)37(19)34(45)3026(482)1827(493)31(38)32(30)5037)23(20101222(524)131120)1728(43)3924(141553(546)47)364035(415136)21867921h1013181921232444H691417H215H3(H3943)
MFCD31758243
ZINC001547138950
ZINC001772492916

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Available files

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